input word = C00027771

Metabolite InformationStructural formula
Name 6-O-Methylipecoside
Formula C28H37NO12
Mw 579.23157566
CAS RN 137318-68-4
C_ID C00027771 ,
InChIKey ATLQWGMCZKUALF-UHFFFAOYNA-N
InChICode InChI=1S/C28H37NO12/c1-5-15-17(9-19-16-10-20(32)21(37-3)8-14(16)6-7-29(19)13(2)31)18(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)22(11-30)40-28/h5,8,10,12,15,17,19,22-25,27-28,30,32-35H,1,6-7,9,11H2,2-4H3/t15-,17-,19+,22-,23-,24+,25-,27-,28-/m0/s1
SMILES c1(c(cc2c(c1)[C@H](N(CC2)C(=O)C)C[C@@H]1C(=CO[C@H]([C@H]1C=C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCephaelis ipecacuanha Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
--Carapichea affinis Ref.
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